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20 3 5 16 28 24 19 12 4 17 10 21 25 9 26 7 1 27 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 31 1 -0.57 10 0.3 11 -0.14 12 0.06 13 0.57 14 0.1 15 0.28 2 -0.68 20 -0.15 21 -0.15 23 -0.15 25 -0.15 26 -0.15 27 0.08 28 -0.15 29 -0.15 3 -0.36 30 0.28 39 0.4 4 -0.66 5 -0.87 50 0.15 51 0.15 52 0.15 53 0.4 54 0.15 55 0.15 56 0.15 57 0.15 7 0.44 9 0.37 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 7 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 11 1 1 acceptor 1 2 acceptor 1 2 donor 1 3 acceptor 1 5 cation 1 5 donor 5 12 16 17 18 19 rings 5 4 6 7 8 10 rings 6 11 14 20 21 22 23 rings 6 24 25 26 27 28 29 rings 6 5 6 7 9 11 14 rings 30 3 3 0 0 0 0 0 1 1